Chemical Properties of 3,5-Dimethylphenyl isocyanate (CAS 54132-75-1)

3,5-Dimethylphenyl isocyanate

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InChI
InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChI Key
DZSGDHNHQAJZCO-UHFFFAOYSA-N
Formula
C9H9NO
SMILES
Cc1cc(C)cc(N=C=O)c1
Molecular Weight1
147.17
CAS
54132-75-1
Other Names
  • 3,5-xylyl isocyanate
  • Benzene, 1-isocyanato-3,5-dimethyl-
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Physical Properties

Property Value Unit Source
Δfgas -20.91 kJ/mol Joback Calculated Property
Δvap 48.76 kJ/mol Joback Calculated Property
log10WS -6.91 Crippen Calculated Property
logPoct/wat 2.271 Crippen Calculated Property
McVol 121.160 ml/mol McGowan Calculated Property
Pc 3431.89 kPa Joback Calculated Property
Tboil 508.63 K Joback Calculated Property
Tc 728.49 K Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [362.87; 508.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51367e+01
Coefficient B-4.24003e+03
Coefficient C-7.73230e+01
Temperature range, min.362.87
Temperature range, max.508.87
Pvap 1.33 kPa 362.87 Calculated Property
Pvap 2.96 kPa 379.09 Calculated Property
Pvap 6.07 kPa 395.31 Calculated Property
Pvap 11.59 kPa 411.54 Calculated Property
Pvap 20.85 kPa 427.76 Calculated Property
Pvap 35.61 kPa 443.98 Calculated Property
Pvap 58.13 kPa 460.20 Calculated Property
Pvap 91.17 kPa 476.43 Calculated Property
Pvap 138.06 kPa 492.65 Calculated Property
Pvap 202.65 kPa 508.87 Calculated Property

Similar Compounds

3,5-Dimethylphenyl isothiocyanate. Benzene, 1-isocyanato-3-methyl-. Benzenamine, 3,5-dimethyl-. m-Tolyl isothiocyanate. 5-Nitro-m-xylene. 2,3-Dimethylphenyl isocyanate. 3,4-Xylyl isothiocyanate. Benzenamine, N,N,3,5-tetramethyl-. 2,6-Dimethylphenyl isocyanate. Benzene, 1-isocyanato-2-methyl-. Benzylidene-(3-methylphenyl)-amine. 2,4-Dimethylphenyl isothiocyanate. Methanimidamide, N,N-dimethyl-N'-(3-methylphenyl)-. 2,4,6-Trimethylphenyl isothiocyanate. (p-methylbenzylidene)-(3-methylphenyl)-amine.

Find more compounds similar to 3,5-Dimethylphenyl isocyanate.

Sources

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